5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

C15H16N2O5 — CID 71299381

IUPAC5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOc1ccc2c(c1)OC(N)=C1C(=O)N(CCO)C(=O)CC12
InChIInChI=1S/C15H16N2O5/c1-21-8-2-3-9-10-7-12(19)17(4-5-18)15(20)13(10)14(16)22-11(9)6-8/h2-3,6,10,18H,4-5,7,16H2,1H3
InChIKeyIRDYTQCBDNOWFH-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.09
Rot. Bonds3

About 5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299381) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299381
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCOc1ccc2c(c1)OC(N)=C1C(=O)N(CCO)C(=O)CC12
InChIInChI=1S/C15H16N2O5/c1-21-8-2-3-9-10-7-12(19)17(4-5-18)15(20)13(10)14(16)22-11(9)6-8/h2-3,6,10,18H,4-5,7,16H2,1H3
InChIKeyIRDYTQCBDNOWFH-UHFFFAOYSA-N
XLogP0.09
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299381) is 5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is COc1ccc2c(c1)OC(N)=C1C(=O)N(CCO)C(=O)CC12.
What is the InChIKey of 5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is IRDYTQCBDNOWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-21-8-2-3-9-10-7-12(19)17(4-5-18)15(20)13(10)14(16)22-11(9)6-8/h2-3,6,10,18H,4-5,7,16H2,1H3.
What are the key properties of 5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 304.30 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-hydroxyethyl)-8-methoxy-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).